SCHEMBL1026070

SCHEMBL1026070

CCNNC(=O)c1ccc(NCC(=O)N(CCN(C(=O)OC(C)(C)C)C(C)C)CC(=O)N(C)N2Cc3ccccc3C2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.42
AHCY P23526 2/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC3 O15379 4/20 0.35
HDAC2 Q92769 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
NAMPT P43490 3/20 0.32
METAP2 P50579 1/20 0.31
HDAC6 Q9UBN7 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1027342 0.95 ACKR3 (0.43) ACKR3AHCYHDAC1HDAC3HDAC2
SCHEMBL1026887 0.93 ACKR3 (0.42) ACKR3AHCYHDAC1HDAC3HDAC2
SCHEMBL1027354 0.92 HDAC1 (0.38) ACKR3AHCYHDAC1HDAC3HDAC2
SCHEMBL1025501 0.88 ACKR3 (0.42) ACKR3AHCYHDAC1HDAC3HDAC2
SCHEMBL1026979 0.87 HDAC1 (0.38) ACKR3AHCYHDAC1HDAC3HDAC2
SCHEMBL1025935 0.86 ACKR3 (0.48) ACKR3AHCYMETAP2
SCHEMBL1026545 0.86 AHCY (0.36) ACKR3AHCYHDAC1HDAC3HDAC2
SCHEMBL1027669 0.85 ACKR3 (0.46) ACKR3AHCYNAMPT
SCHEMBL1028121 0.83 ACKR3 (0.48) ACKR3AHCY
SCHEMBL1027778 0.81 ACKR3 (0.43) ACKR3AHCYHDAC1METAP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 ACKR3 1777/4885AHCY 4108/4885HDAC1 570/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ACKR3 4604/4885AHCY 4/4885HDAC1 1765/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.